N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide

C17H19FN2O — CID 109035088

IUPACN-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccccc2F)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-12-7-8-15(13(2)11-12)20-17(21)9-10-19-16-6-4-3-5-14(16)18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyOFZOPKNPQDBACS-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.88
Rot. Bonds5

About N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide

N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide (PubChem CID 109035088) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
PubChem CID109035088
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccccc2F)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-12-7-8-15(13(2)11-12)20-17(21)9-10-19-16-6-4-3-5-14(16)18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyOFZOPKNPQDBACS-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035079
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 109035100
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
N-(2-fluorophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26584303
N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide (CID 109035088) is N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide is Cc1ccc(NC(=O)CCNc2ccccc2F)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide?
The InChIKey is OFZOPKNPQDBACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-7-8-15(13(2)11-12)20-17(21)9-10-19-16-6-4-3-5-14(16)18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide?
N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide has a molecular weight of 286.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide is sourced from PubChem (CID 109035088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).